[2-oxidanylidene-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] 3,4-dimethoxybenzoate

Systemtic Name: [2-oxidanylidene-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] 3,4-dimethoxybenzoate Openeye Name: [2-oxo-2-[2-(2-thienylmethylsulfanyl)ethylamino]ethyl] 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid [2-oxo-2-[2-(thiophen-2-ylmethylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid [2-keto-2-[2-(2-thenylthio)ethylamino]ethyl] ester Formula: C18H21NO5S2 MolecularWeight: 395.49304

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)NCCSCC2=CC=CS2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)NCCSCC2=CC=CS2)OC

InChI

InChI=1S/C18H21NO5S2/c1-22-15-6-5-13(10-16(15)23-2)18(21)24-11-17(20)19-7-9-25-12-14-4-3-8-26-14/h3-6,8,10H,7,9,11-12H2,1-2H3,(H,19,20)